(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene

C24H40N6 — CID 176519327

IUPAC(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
SMILESCC1=C2/C=N/CCC/N=C\C(=C(\C)NCCCCCC/N=C\2C)\C(C)=N/CCCN1
InChIInChI=1S/C24H40N6/c1-19-23-17-25-11-9-12-26-18-24(22(4)30-16-10-15-29-21(23)3)20(2)28-14-8-6-5-7-13-27-19/h17-18,27,30H,5-16H2,1-4H3/b23-19+,24-22?,25-17-,26-18+,28-20-,29-21-
InChIKeyWFTHPKKGHMZJHK-IQLULNIISA-N
MW412.63 g/mol
LogP4.14
Rot. Bonds

About (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene

(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene (PubChem CID 176519327) has the molecular formula C24H40N6 and a molecular weight of 412.63 g/mol. Its IUPAC name is (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene.

Molecular Properties

Compound Name(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
PubChem CID176519327
Molecular FormulaC24H40N6
Molecular Weight412.63 g/mol
Exact Mass412.33
IUPAC Name(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene
SMILESCC1=C2/C=N/CCC/N=C\C(=C(\C)NCCCCCC/N=C\2C)\C(C)=N/CCCN1
InChIInChI=1S/C24H40N6/c1-19-23-17-25-11-9-12-26-18-24(22(4)30-16-10-15-29-21(23)3)20(2)28-14-8-6-5-7-13-27-19/h17-18,27,30H,5-16H2,1-4H3/b23-19+,24-22?,25-17-,26-18+,28-20-,29-21-
InChIKeyWFTHPKKGHMZJHK-IQLULNIISA-N
XLogP4.14
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene?
The IUPAC name of (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene (CID 176519327) is (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene.
What is the SMILES notation for (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene?
The canonical SMILES for (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene is CC1=C2/C=N/CCC/N=C\C(=C(\C)NCCCCCC/N=C\2C)\C(C)=N/CCCN1.
What is the InChIKey of (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene?
The InChIKey is WFTHPKKGHMZJHK-IQLULNIISA-N. The full InChI is InChI=1S/C24H40N6/c1-19-23-17-25-11-9-12-26-18-24(22(4)30-16-10-15-29-21(23)3)20(2)28-14-8-6-5-7-13-27-19/h17-18,27,30H,5-16H2,1-4H3/b23-19+,24-22?,25-17-,26-18+,28-20-,29-21-.
What are the key properties of (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene?
(11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene has a molecular weight of 412.63 g/mol, XLogP of 4.14, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-2,11,20,26-tetramethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1(20),2,11,13,18,25-hexaene is sourced from PubChem (CID 176519327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).